SCHEMBL4841532

SCHEMBL4841532

CC(O)NC(=O)CCCN(c1nc2cc(Cl)ccc2[nH]1)c1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
HRH4 Q9H3N8 4/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
PTGS2 P35354 1/20 0.32
NLRP1 Q9C000 1/20 0.32
GSK3B P49841 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
DPP4 P27487 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4841860 0.91 HRH4 (0.32) BACE1HRH4HRH3HPGDPOLB
SCHEMBL4841867 0.88 ABL1 (0.34) HRH4HRH3HPGDPOLBGSK3B
SCHEMBL4841544 0.86 HRH4 (0.35) HRH4HRH3PTGS2GSK3BKMT2A
SCHEMBL4148485 0.82 HRH4 (0.41) HRH4HRH3HPGDPTGS2GSK3B
SCHEMBL4848519 0.81 TAAR1 (0.32) HRH4HRH3
SCHEMBL4839125 0.81 LMNA (0.40) HRH4HRH3KMT2AMEN1
SCHEMBL2995799 0.79 ALDH1A1 (0.36) HRH4HRH3KMT2AMEN1
SCHEMBL4844540 0.77 KMT2A (0.40) GSK3BKMT2AMEN1
SCHEMBL2994427 0.74 ALDH1A1 (0.35) BACE1HRH4HRH3GSK3BKMT2A
SCHEMBL2997119 0.74 ALDH1A1 (0.35) BACE1HRH4HRH3KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 BACE1 203/4885HRH4 1414/4885HRH3 963/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.